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trans-tert-butyl 4-(diethoxyphosphoryl)-5-phenyl-2-thioxoimidazolidine-1-carboxylate
SpectraBase Compound ID 676VM7RAN78
InChI InChI=1S/C18H27N2O5PS/c1-6-23-26(22,24-7-2)15-14(13-11-9-8-10-12-13)20(16(27)19-15)17(21)25-18(3,4)5/h8-12,14-15H,6-7H2,1-5H3,(H,19,27)/t14-,15-/m1/s1
InChIKey SBOMGPZJDOWBRA-HUUCEWRRSA-N
Mol Weight 414.46 g/mol
Molecular Formula C18H27N2O5PS
Exact Mass 414.13783 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7IufhfCAkQ1
Name trans-tert-butyl 4-(diethoxyphosphoryl)-5-phenyl-2-thioxoimidazolidine-1-carboxylate
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Formula C18H27N2O5PS
InChI InChI=1S/C18H27N2O5PS/c1-6-23-26(22,24-7-2)15-14(13-11-9-8-10-12-13)20(16(27)19-15)17(21)25-18(3,4)5/h8-12,14-15H,6-7H2,1-5H3,(H,19,27)/t14-,15-/m1/s1
InChIKey SBOMGPZJDOWBRA-HUUCEWRRSA-N
Literature Reference DOI 10.1002/rcm.4644
Molecular Weight 414.457 g/mol
SMILES N1C(N([C@@]([C@]1(P(OCC)(OCC)=O)[H])(c1ccccc1)[H])C(OC(C)(C)C)=O)=S
SPLASH splash10-004i-3900000000-703814fe9af0f9261633
Source of Spectrum RCM-24-2326-trans_2
Synonyms tert-Butyl (4R,5R)-4-(diethoxyphosphoryl)-5-phenyl-2-thioxoimidazolidine-1-carboxylate
Wiley ID 1814648